SCHEMBL19997438

SCHEMBL19997438

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(C#N)c1cnc2c(N)ncnn12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ TNK2 Q07912 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12243236 0.88 PDE2A (0.33) HSPA5PDE2A
SCHEMBL19997431 0.88 PDE2A (0.33) HSPA5PDE2A
SCHEMBL10083635 0.88 HSPA5 (0.33) HSPA5PDE2ATNK2
SCHEMBL17453586 0.88 HSPA5 (0.33) HSPA5PDE2ATNK2
SCHEMBL12243182 0.88 HSPA5 (0.33) HSPA5PDE2ATNK2
SCHEMBL12393235 0.88 HSPA5 (0.37) HSPA5PDE2ATNK2
SCHEMBL16519849 0.86 HSPA5 (0.35) HSPA5PDE2ATNK2
SCHEMBL12243220 0.86 PDE2A (0.32) HSPA5PDE2A
SCHEMBL12243233 0.85 PDE2A (0.31) HSPA5PDE2A
SCHEMBL12393291 0.85 TNK2 (0.32) TNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
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